CID 168009866

Lumbokinase capsules

Structural Information

Molecular Formula
C17H15N
SMILES
C1=CC=C2C=C(C=CC2=C1)C=C3C=CC=CC3N
InChI
InChI=1S/C17H15N/c18-17-8-4-3-7-16(17)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12,17H,18H2
InChIKey
MLVMQHOUVDMPCQ-UHFFFAOYSA-N
Compound name
6-(naphthalen-2-ylmethylidene)cyclohexa-2,4-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12773 152.4
[M+Na]+ 256.10967 159.7
[M-H]- 232.11317 159.3
[M+NH4]+ 251.15427 170.7
[M+K]+ 272.08361 153.4
[M+H-H2O]+ 216.11771 144.8
[M+HCOO]- 278.11865 174.8
[M+CH3COO]- 292.13430 164.6
[M+Na-2H]- 254.09512 159.1
[M]+ 233.11990 148.2
[M]- 233.12100 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.